4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine

C15H24N2O4S — CID 67277826

IUPAC4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine
SMILESCOCC1CN(S(=O)(=O)c2ccccc2)CC(COC)N1C
InChIInChI=1S/C15H24N2O4S/c1-16-13(11-20-2)9-17(10-14(16)12-21-3)22(18,19)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3
InChIKeyRIZVXRYYMFMKRE-UHFFFAOYSA-N
MW328.43 g/mol
LogP0.65
Rot. Bonds6

About 4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine

4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine (PubChem CID 67277826) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine
PubChem CID67277826
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine
SMILESCOCC1CN(S(=O)(=O)c2ccccc2)CC(COC)N1C
InChIInChI=1S/C15H24N2O4S/c1-16-13(11-20-2)9-17(10-14(16)12-21-3)22(18,19)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3
InChIKeyRIZVXRYYMFMKRE-UHFFFAOYSA-N
XLogP0.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R)-1-(benzenesulfonyl)-4-methoxy-2-(methoxymethyl)pyrrolidine
CID 128975294
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane
CID 77427931
1-(benzenesulfonyl)-3-fluoroazetidine
CID 141433694
1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine
CID 42844226
5-(benzenesulfonyl)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 134076147
(8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124796737
(3aR,6aR)-5-(benzenesulfonyl)-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97401958
1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine
CID 134383141
(6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97462213
(2R)-1-(benzenesulfonyl)-2-ethylaziridine
CID 22957230
(2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine
CID 74224270

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine?
The IUPAC name of 4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine (CID 67277826) is 4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine.
What is the SMILES notation for 4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine?
The canonical SMILES for 4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine is COCC1CN(S(=O)(=O)c2ccccc2)CC(COC)N1C.
What is the InChIKey of 4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine?
The InChIKey is RIZVXRYYMFMKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-16-13(11-20-2)9-17(10-14(16)12-21-3)22(18,19)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of 4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine?
4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine has a molecular weight of 328.43 g/mol, XLogP of 0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine is sourced from PubChem (CID 67277826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).